4-methyl-3-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]sulfonyl-benzoic acid

Systemtic Name: 4-methyl-3-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]sulfonyl-benzoic acid Openeye Name: 3-[2-(allylamino)-2-oxo-ethyl]sulfonyl-4-methyl-benzoic acid CAS Name: 4-methyl-3-[2-oxo-2-(prop-2-enylamino)ethyl]sulfonylbenzoic acid IUPAC Name: 4-methyl-3-[2-oxo-2-(prop-2-enylamino)ethyl]sulfonylbenzoic acid Traditional Name: 3-[2-(allylamino)-2-keto-ethyl]sulfonyl-4-methyl-benzoic acid Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC(=O)NCC=C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC(=O)NCC=C

InChI

InChI=1S/C13H15NO5S/c1-3-6-14-12(15)8-20(18,19)11-7-10(13(16)17)5-4-9(11)2/h3-5,7H,1,6,8H2,2H3,(H,14,15)(H,16,17)